![N-[3-(Cyclohexylamino)propyl]-2-[[(3-chlorophenylsulfonyl)]amino]-1,3-thiazol-4-yl-acetamide monohydrate](/api/spectrum/DymvpPu7M3F/structure.png?h=300&w=458 "N-[3-(Cyclohexylamino)propyl]-2-[[(3-chlorophenylsulfonyl)]amino]-1,3-thiazol-4-yl-acetamide monohydrate")
| SpectraBase Compound ID | LaMjGnQqozj |
|---|---|
| InChI | InChI=1S/C20H27ClN4O3S2.H2O/c21-15-6-4-9-18(12-15)30(27,28)25-20-24-17(14-29-20)13-19(26)23-11-5-10-22-16-7-2-1-3-8-16;/h4,6,9,12,14,16,22H,1-3,5,7-8,10-11,13H2,(H,23,26)(H,24,25);1H2 |
| InChIKey | XJMLZDNIUIDGHM-UHFFFAOYSA-N |
| Mol Weight | 489.05 g/mol |
| Molecular Formula | C20H29ClN4O4S2 |
| Exact Mass | 488.131875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DymvpPu7M3F |
|---|---|
| Name | N-[3-(Cyclohexylamino)propyl]-2-[[(3-chlorophenylsulfonyl)]amino]-1,3-thiazol-4-yl-acetamide monohydrate |
| Alternate Name(s) | 2-(2-(3-chlorophenylsulfonamido)thiazol-4-yl)-N-(3-(cyclohexylamino)propyl)acetamide hydrate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H29ClN4O4S2 |
| InChI | InChI=1S/C20H27ClN4O3S2.H2O/c21-15-6-4-9-18(12-15)30(27,28)25-20-24-17(14-29-20)13-19(26)23-11-5-10-22-16-7-2-1-3-8-16;/h4,6,9,12,14,16,22H,1-3,5,7-8,10-11,13H2,(H,23,26)(H,24,25);1H2 |
| InChIKey | XJMLZDNIUIDGHM-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/ardp.200700046 |
| Molecular Weight | 489.049 g/mol |
| SMILES | O.N(S(c1cc(ccc1)Cl)(=O)=O)c1nc(CC(=O)NCCCNC2CCCCC2)cs1 |
| SPLASH | splash10-01td-3921600000-4100f174e3a8efba42a8 |
| Source of Spectrum | APC-341-652-3p |
| Wiley ID | 1768906 |